7UEN

Genetic and structural basis of the human anti-alpha-galactosyl antibody response

Replaces:  6NUY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 32 2 1
Unit cell lengths	101.492, 101.492, 78.159
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.310 - 1.550
R-factor	0.1298
Rwork	0.128
R-free	0.17470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	generic Fab
RMSD bond length	0.012
RMSD bond angle	1.681
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.7.17)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.310	38.310	1.580
High resolution limit [Å]	1.550	8.490	1.550
Rmerge	0.091	0.057	1.757
Rmeas	0.093	0.059	1.822
Rpim	0.021	0.015	0.475
Total number of observations	1276211	7419	47508
Number of reflections	67630	467	3319
<I/σ(I)>	17.2	45.4	2.5
Completeness [%]	100.0	99.1	99.9
Redundancy	18.9	15.9	14.3
CC(1/2)	0.999	0.998	0.465

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	Equal volumes of a protein (in 25 mM Tris (pH 8.0), 100 mM NaCl) and well solution (1.5 M NaH2PO4.H2O.K2HPO4, pH 8.0) were combined.